SCHEMBL10170638

SCHEMBL10170638

COCCN(CC(C)=O)CC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.34
KCNQ3 O43525 1/20 0.32
KCNQ2 O43526 1/20 0.32
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12735158 0.86 TRPA1 (0.39) CACNA1BBLMPMP22HSD17B10
SCHEMBL10170320 0.85 BLM (0.48) CACNA1BKCNQ3KCNQ2BLMPMP22
SCHEMBL19546089 0.82 BLM (0.41) CACNA1BBLMPMP22HSD17B10
SCHEMBL15696992 0.81 PIK3CD (0.34)
SCHEMBL18053151 0.78 KDM4E (0.39) BLMPMP22HSD17B10
SCHEMBL18412665 0.78 BLM (0.55) BLMPMP22HSD17B10
SCHEMBL21427999 0.78 CYP2D6 (0.37) CACNA1BBLMPMP22HSD17B10
SCHEMBL18412664 0.78 BLM (0.36) BLMPMP22HSD17B10
SCHEMBL10247121 0.78 CA12 (0.37)
SCHEMBL10170635 0.78 ALOX15 (0.38)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB CACNA1B 1955/4885KCNQ3 1217/4885KCNQ2 1363/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB CACNA1B 1955/4885KCNQ3 1217/4885KCNQ2 1363/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.